8-methoxy-2-pyridin-3-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-methoxy-2-pyridin-3-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-methoxy-2-(3-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-2-(3-pyridinyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-2-pyridin-3-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-methoxy-2-(3-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C18H14N4OS MolecularWeight: 334.39496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H14N4OS/c1-23-13-6-7-14-15(10-13)21-17(12-4-2-8-19-11-12)22-18(20-14)16-5-3-9-24-16/h2-11H,1H3,(H,20,21,22)